N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide

C18H24N2O2S — CID 70747319

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1cc(C)nc2c(C)c(C)ccc12
InChIInChI=1S/C18H24N2O2S/c1-11-5-6-15-16(9-12(2)19-17(15)13(11)3)18(22)20-14(10-21)7-8-23-4/h5-6,9,14,21H,7-8,10H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyRZXJCPJBBDBRMP-AWEZNQCLSA-N
MW332.47 g/mol
LogP3.00
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide (PubChem CID 70747319) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
PubChem CID70747319
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1cc(C)nc2c(C)c(C)ccc12
InChIInChI=1S/C18H24N2O2S/c1-11-5-6-15-16(9-12(2)19-17(15)13(11)3)18(22)20-14(10-21)7-8-23-4/h5-6,9,14,21H,7-8,10H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyRZXJCPJBBDBRMP-AWEZNQCLSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide with MolForge

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Related Compounds

1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91640816
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
CID 91822378
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 163088809
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46997983
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,7,8-trimethylquinoline-4-carbonyl)amino]acetic acid
CID 95563959
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-methoxy-6-methylbenzamide
CID 131917983
6,8-difluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639912
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide (CID 70747319) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide is CSCC[C@@H](CO)NC(=O)c1cc(C)nc2c(C)c(C)ccc12.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The InChIKey is RZXJCPJBBDBRMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11-5-6-15-16(9-12(2)19-17(15)13(11)3)18(22)20-14(10-21)7-8-23-4/h5-6,9,14,21H,7-8,10H2,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 70747319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).